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Flash_Point:
|
130-132°C/15mm
|
|
LogP:
|
3.21340
|
|
Bolling_Point:
|
115-117 °C (11 mmHg)
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|
FW:
|
187.62200
|
|
PSA:
|
44.45000
|
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Computational_Chemistry:
|
['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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|
MF:
|
C7H3ClFNS
|
|
Exact_Mass:
|
186.96600
|
|
Molecular_Structure:
|
['1. Molar refractive index 471 ', '2. Molar volume 1422 ', '3. Parachor （902K）3473 ', '4. Surface tension 356 ', '5. Dielectric constant N/A ', '6. Polarizability 1867 ', '7. Single isotope mass 186965875 Da ', '8. Nominal mass 187 Da ', '9. Average mass 1876218 Da']
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Density:
|
1.31g/cm3
|
|
More_Info:
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['1 . Appearance 有刺激性气味的Colourless 的Liquid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2KPa）130-132 ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）130-132 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
